methyl 4-{[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonyl]amino}benzoate
methyl 4-{[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonyl]amino}benzoate
Compound characteristics
Compound ID: | M954-0395 |
Compound Name: | methyl 4-{[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2,5-dimethyl-1H-pyrrole-3-sulfonyl]amino}benzoate |
Molecular Weight: | 404.44 |
Molecular Formula: | C18 H20 N4 O5 S |
Smiles: | CCc1nc(c2c(c(C)[nH]c2C)S(Nc2ccc(cc2)C(=O)OC)(=O)=O)on1 |
Stereo: | ACHIRAL |
logP: | 3.0844 |
logD: | 2.7439 |
logSw: | -3.4338 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 105.518 |
InChI Key: | BYODRVLKZNKIRQ-UHFFFAOYSA-N |